Showing NP-Card for Lobophorin E (NP0010291)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-05 19:51:38 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:05:41 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0010291 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Lobophorin E | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Lobophorin E is found in Streptomyces sp. SCSIO 01127. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for NP0010291 (Lobophorin E)
Mrv1652307012121313D
173181 0 0 0 0 999 V2000
-11.8468 6.8389 -0.8198 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.9211 5.7982 -0.5233 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.7173 4.8010 -1.4629 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.3735 4.8646 -2.5549 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.8111 3.7419 -1.2232 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.5876 2.6761 -2.2088 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.1716 2.7785 -2.6617 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.2876 3.5220 -1.6489 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5904 1.6217 -3.1132 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.7215 0.5214 -2.3059 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.1078 0.7303 -1.1080 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0356 -0.1796 -0.8450 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.7468 0.6818 -0.7054 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.7104 0.3113 -1.6254 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5585 -0.3033 -1.4134 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9447 -0.9145 -2.6761 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8697 -0.3891 -0.1819 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4048 -0.3545 -0.6598 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4873 -0.0521 0.2427 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1214 0.1993 1.5751 C 0 0 2 0 0 0 0 0 0 0 0 0
1.0142 0.5225 2.4606 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7518 1.6254 2.1255 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1023 1.3370 2.2230 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9383 1.5859 1.0109 C 0 0 2 0 0 0 0 0 0 0 0 0
5.1837 0.7269 1.1290 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3015 1.2332 0.5239 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9327 0.2453 -0.2440 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1434 0.5799 -1.6640 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5233 1.0548 -2.0442 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5815 2.4523 -2.0823 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6057 0.4951 -1.1631 C 0 0 1 0 0 0 0 0 0 0 0 0
10.7937 1.1065 -1.4147 O 0 0 0 0 0 0 0 0 0 0 0 0
11.8348 0.2272 -1.7113 C 0 0 2 0 0 0 0 0 0 0 0 0
12.8939 0.1973 -0.6722 C 0 0 2 0 0 0 0 0 0 0 0 0
14.2292 -0.0891 -1.3123 C 0 0 1 0 0 0 0 0 0 0 0 0
14.3656 -1.3934 -1.7255 O 0 0 0 0 0 0 0 0 0 0 0 0
14.5009 0.9340 -2.3953 C 0 0 1 0 0 0 0 0 0 0 0 0
15.5500 0.4824 -3.1680 O 0 0 0 0 0 0 0 0 0 0 0 0
16.6901 1.2626 -3.1082 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2503 1.2477 -3.1831 C 0 0 2 0 0 0 0 0 0 0 0 0
12.7110 2.5865 -2.7859 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3202 0.2689 -2.9675 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1063 0.7578 0.2743 C 0 0 2 0 0 0 0 0 0 0 0 0
10.1571 0.5248 1.3019 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0864 -0.1947 0.4391 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4635 0.6036 2.6461 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8627 0.4789 2.7520 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0387 1.8538 3.3513 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4729 1.7561 4.7964 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6523 2.0045 3.3519 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4783 0.6678 3.9100 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.6124 1.6602 4.0232 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1162 -0.7543 4.1915 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.1324 -1.1825 3.3618 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.3095 -2.5385 3.9804 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7912 -1.0879 1.9446 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9617 -1.2950 0.9295 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.0728 -0.7470 1.8770 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0007 -2.7457 0.8841 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8992 -3.6060 1.1563 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1304 -3.4457 0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7682 -4.5376 1.3924 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3149 -5.0081 2.4724 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9114 -4.8993 0.7226 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1840 -4.0264 -0.2625 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.3447 -4.9565 -1.4958 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.6984 -4.8790 -2.1134 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.8604 -6.1629 -2.9381 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7293 -4.9492 -1.0432 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8455 -5.9074 -1.0095 C 0 0 0 0 0 0 0 0 0 0 0 0
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-6.3532 -3.1260 -0.2786 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.4902 -2.0743 0.6911 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4586 -0.7902 0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.8855 -3.1916 -0.5615 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1801 -2.7103 -1.6908 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.1910 0.2003 -2.1925 C 0 0 2 0 0 0 0 0 0 0 0 0
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-9.9114 1.3218 -0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.3742 1.1024 -1.9780 N 0 3 0 0 0 4 0 0 0 0 0 0
-12.0925 1.8657 -2.6416 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.9709 -0.0773 -1.5436 O 0 5 0 0 0 1 0 0 0 0 0 0
-12.3697 6.6257 -1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3887 7.8259 -0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.6441 6.8283 -0.0283 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2954 3.7415 -0.3106 H 0 0 0 0 0 0 0 0 0 0 0 0
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-8.1577 3.4834 -3.5550 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2853 3.6658 -2.1162 H 0 0 0 0 0 0 0 0 0 0 0 0
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-7.2357 3.0307 -0.6805 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2720 -0.3386 -2.8845 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0311 -0.7870 -1.7341 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0917 1.7282 -1.0915 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5842 0.9040 0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9249 0.5915 -2.7011 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4200 -1.8431 -2.4685 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3801 -0.1040 -3.1474 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7634 -1.1603 -3.4158 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9466 0.6660 0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1300 -0.5729 -1.6952 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5211 -0.0159 -0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7721 1.0945 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6950 -0.3404 2.5577 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2326 0.2556 2.5096 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2756 2.6530 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4455 1.2650 0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0058 -0.3294 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2623 -0.6697 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9058 -0.3136 -2.3117 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4251 1.3693 -1.9802 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7412 0.7071 -3.0782 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1519 2.7804 -2.8898 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6216 -0.6070 -1.2825 H 0 0 0 0 0 0 0 0 0 0 0 0
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12.7491 -0.6345 0.0737 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0233 1.1739 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0105 0.0884 -0.5137 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0937 -1.4835 -2.3967 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8275 1.8644 -1.8944 H 0 0 0 0 0 0 0 0 0 0 0 0
16.5608 2.2935 -3.4347 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1853 1.2082 -2.1017 H 0 0 0 0 0 0 0 0 0 0 0 0
17.4276 0.7825 -3.8069 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4852 1.2288 -4.2868 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1304 3.3708 -3.4933 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8840 2.8791 -1.7478 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5960 2.6321 -2.9570 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7421 1.7833 0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9625 1.2892 1.2002 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6889 0.7401 2.2956 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5508 -0.5012 1.3179 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0447 -0.3233 3.0564 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3052 1.3380 2.9011 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4643 2.7512 2.8648 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6798 2.1224 5.4984 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5861 0.6782 5.0436 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4456 2.2554 4.9974 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3463 0.9560 4.5013 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2183 2.6892 3.7865 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4939 1.5270 3.4068 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9232 1.7422 5.0949 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1529 -0.8648 5.2797 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9596 -1.4006 3.9279 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8499 -0.4067 3.7616 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1844 -3.1049 3.8097 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3395 -3.0995 3.8471 H 0 0 0 0 0 0 0 0 0 0 0 0
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-7.7458 -6.0762 -3.5816 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5688 -6.9333 -0.7241 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6652 -5.4882 -0.3963 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2658 -5.9469 -2.0574 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2196 -3.9673 0.7558 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4813 -2.7846 -1.3389 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6323 -2.3763 1.7467 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9810 0.0166 1.6965 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3263 -0.1765 2.4116 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6201 1.1867 1.3115 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4121 -0.6901 -1.5752 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5596 0.0047 -3.2111 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8976 0.2249 0.1476 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0049 1.7569 0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8491 1.7089 0.3475 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
3 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
31 32 1 0 0 0 0
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33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
37 40 1 0 0 0 0
40 41 1 0 0 0 0
40 42 1 0 0 0 0
31 43 1 0 0 0 0
43 44 1 0 0 0 0
43 45 1 0 0 0 0
25 46 1 0 0 0 0
46 47 1 0 0 0 0
46 48 1 0 0 0 0
48 49 1 0 0 0 0
48 50 1 0 0 0 0
21 51 1 0 0 0 0
51 52 1 0 0 0 0
51 53 1 0 0 0 0
53 54 1 0 0 0 0
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57 58 1 1 0 0 0
57 59 1 0 0 0 0
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61 62 1 0 0 0 0
62 63 2 0 0 0 0
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65 64 1 1 0 0 0
65 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 1 0 0 0 0
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69 71 2 0 0 0 0
71 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 2 0 0 0 0
74 75 1 0 0 0 0
65 76 1 0 0 0 0
76 77 2 0 0 0 0
10 78 1 0 0 0 0
78 79 1 0 0 0 0
79 80 1 0 0 0 0
79 81 1 1 0 0 0
81 82 2 0 0 0 0
81 83 1 0 0 0 0
79 6 1 0 0 0 0
74 12 1 0 0 0 0
57 17 1 0 0 0 0
76 61 1 0 0 0 0
56 20 1 0 0 0 0
72 65 1 0 0 0 0
50 23 1 0 0 0 0
45 27 1 0 0 0 0
42 33 1 0 0 0 0
1 84 1 0 0 0 0
1 85 1 0 0 0 0
1 86 1 0 0 0 0
5 87 1 0 0 0 0
6 88 1 6 0 0 0
7 89 1 6 0 0 0
8 90 1 0 0 0 0
8 91 1 0 0 0 0
8 92 1 0 0 0 0
10 93 1 6 0 0 0
12 94 1 6 0 0 0
13 95 1 0 0 0 0
13 96 1 0 0 0 0
14 97 1 0 0 0 0
16 98 1 0 0 0 0
16 99 1 0 0 0 0
16100 1 0 0 0 0
17101 1 1 0 0 0
18102 1 0 0 0 0
19103 1 0 0 0 0
20104 1 6 0 0 0
21105 1 1 0 0 0
23106 1 1 0 0 0
24107 1 0 0 0 0
24108 1 0 0 0 0
25109 1 6 0 0 0
27110 1 6 0 0 0
28111 1 0 0 0 0
28112 1 0 0 0 0
29113 1 6 0 0 0
30114 1 0 0 0 0
31115 1 1 0 0 0
33116 1 6 0 0 0
34117 1 0 0 0 0
34118 1 0 0 0 0
35119 1 1 0 0 0
36120 1 0 0 0 0
37121 1 1 0 0 0
39122 1 0 0 0 0
39123 1 0 0 0 0
39124 1 0 0 0 0
40125 1 6 0 0 0
41126 1 0 0 0 0
41127 1 0 0 0 0
41128 1 0 0 0 0
43129 1 6 0 0 0
44130 1 0 0 0 0
44131 1 0 0 0 0
44132 1 0 0 0 0
46133 1 1 0 0 0
47134 1 0 0 0 0
48135 1 6 0 0 0
49136 1 0 0 0 0
49137 1 0 0 0 0
49138 1 0 0 0 0
51139 1 1 0 0 0
52140 1 0 0 0 0
52141 1 0 0 0 0
52142 1 0 0 0 0
53143 1 0 0 0 0
53144 1 0 0 0 0
54145 1 6 0 0 0
55146 1 0 0 0 0
55147 1 0 0 0 0
55148 1 0 0 0 0
56149 1 6 0 0 0
58150 1 0 0 0 0
58151 1 0 0 0 0
58152 1 0 0 0 0
60153 1 0 0 0 0
66154 1 0 0 0 0
66155 1 0 0 0 0
67156 1 6 0 0 0
68157 1 0 0 0 0
68158 1 0 0 0 0
68159 1 0 0 0 0
70160 1 0 0 0 0
70161 1 0 0 0 0
70162 1 0 0 0 0
71163 1 0 0 0 0
72164 1 6 0 0 0
73165 1 0 0 0 0
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75168 1 0 0 0 0
78169 1 0 0 0 0
78170 1 0 0 0 0
80171 1 0 0 0 0
80172 1 0 0 0 0
80173 1 0 0 0 0
M CHG 2 81 1 83 -1
M END
3D MOL for NP0010291 (Lobophorin E)
RDKit 3D
173181 0 0 0 0 0 0 0 0999 V2000
-11.8468 6.8389 -0.8198 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.9211 5.7982 -0.5233 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.7173 4.8010 -1.4629 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.3735 4.8646 -2.5549 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.8111 3.7419 -1.2232 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.5876 2.6761 -2.2088 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.1716 2.7785 -2.6617 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.2876 3.5220 -1.6489 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5904 1.6217 -3.1132 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.7215 0.5214 -2.3059 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.1078 0.7303 -1.1080 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0356 -0.1796 -0.8450 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.7468 0.6818 -0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7104 0.3113 -1.6254 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5585 -0.3033 -1.4134 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9447 -0.9145 -2.6761 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8697 -0.3891 -0.1819 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4048 -0.3545 -0.6598 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4873 -0.0521 0.2427 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1214 0.1993 1.5751 C 0 0 2 0 0 0 0 0 0 0 0 0
1.0142 0.5225 2.4606 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7518 1.6254 2.1255 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1023 1.3370 2.2230 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9383 1.5859 1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1837 0.7269 1.1290 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3015 1.2332 0.5239 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9327 0.2453 -0.2440 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1434 0.5799 -1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5233 1.0548 -2.0442 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5815 2.4523 -2.0823 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6057 0.4951 -1.1631 C 0 0 1 0 0 0 0 0 0 0 0 0
10.7937 1.1065 -1.4147 O 0 0 0 0 0 0 0 0 0 0 0 0
11.8348 0.2272 -1.7113 C 0 0 2 0 0 0 0 0 0 0 0 0
12.8939 0.1973 -0.6722 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.5861 0.6782 5.0436 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4456 2.2554 4.9974 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3463 0.9560 4.5013 H 0 0 0 0 0 0 0 0 0 0 0 0
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2 3 1 0
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6 7 1 0
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7 9 1 0
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10 11 1 0
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19 20 1 0
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28 29 1 0
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31 43 1 0
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48 50 1 0
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51 52 1 0
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54 55 1 0
54 56 1 0
56 57 1 0
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61 62 1 0
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62 64 1 0
65 64 1 1
65 66 1 0
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67 68 1 0
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10 78 1 0
78 79 1 0
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79 6 1 0
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56 20 1 0
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50 23 1 0
45 27 1 0
42 33 1 0
1 84 1 0
1 85 1 0
1 86 1 0
5 87 1 0
6 88 1 6
7 89 1 6
8 90 1 0
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10 93 1 6
12 94 1 6
13 95 1 0
13 96 1 0
14 97 1 0
16 98 1 0
16 99 1 0
16100 1 0
17101 1 1
18102 1 0
19103 1 0
20104 1 6
21105 1 1
23106 1 1
24107 1 0
24108 1 0
25109 1 6
27110 1 6
28111 1 0
28112 1 0
29113 1 6
30114 1 0
31115 1 1
33116 1 6
34117 1 0
34118 1 0
35119 1 1
36120 1 0
37121 1 1
39122 1 0
39123 1 0
39124 1 0
40125 1 6
41126 1 0
41127 1 0
41128 1 0
43129 1 6
44130 1 0
44131 1 0
44132 1 0
46133 1 1
47134 1 0
48135 1 6
49136 1 0
49137 1 0
49138 1 0
51139 1 1
52140 1 0
52141 1 0
52142 1 0
53143 1 0
53144 1 0
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55146 1 0
55147 1 0
55148 1 0
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58150 1 0
58151 1 0
58152 1 0
60153 1 0
66154 1 0
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68157 1 0
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70160 1 0
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75167 1 0
75168 1 0
78169 1 0
78170 1 0
80171 1 0
80172 1 0
80173 1 0
M CHG 2 81 1 83 -1
M END
3D SDF for NP0010291 (Lobophorin E)
Mrv1652307012121313D
173181 0 0 0 0 999 V2000
-11.8468 6.8389 -0.8198 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.1023 1.3370 2.2230 C 0 0 1 0 0 0 0 0 0 0 0 0
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5.1837 0.7269 1.1290 C 0 0 1 0 0 0 0 0 0 0 0 0
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9.1063 0.7578 0.2743 C 0 0 2 0 0 0 0 0 0 0 0 0
10.1571 0.5248 1.3019 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.4635 0.6036 2.6461 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8627 0.4789 2.7520 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0387 1.8538 3.3513 C 0 0 2 0 0 0 0 0 0 0 0 0
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3.2326 0.2556 2.5096 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2756 2.6530 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4455 1.2650 0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0058 -0.3294 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2623 -0.6697 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9058 -0.3136 -2.3117 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4251 1.3693 -1.9802 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7412 0.7071 -3.0782 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1519 2.7804 -2.8898 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6216 -0.6070 -1.2825 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3199 -0.8020 -1.6264 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7491 -0.6345 0.0737 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0233 1.1739 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0105 0.0884 -0.5137 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0937 -1.4835 -2.3967 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8275 1.8644 -1.8944 H 0 0 0 0 0 0 0 0 0 0 0 0
16.5608 2.2935 -3.4347 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1853 1.2082 -2.1017 H 0 0 0 0 0 0 0 0 0 0 0 0
17.4276 0.7825 -3.8069 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4852 1.2288 -4.2868 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1304 3.3708 -3.4933 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8840 2.8791 -1.7478 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5960 2.6321 -2.9570 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7421 1.7833 0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9625 1.2892 1.2002 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6889 0.7401 2.2956 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5508 -0.5012 1.3179 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0447 -0.3233 3.0564 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3052 1.3380 2.9011 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4643 2.7512 2.8648 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6798 2.1224 5.4984 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5861 0.6782 5.0436 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4456 2.2554 4.9974 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3463 0.9560 4.5013 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2183 2.6892 3.7865 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4939 1.5270 3.4068 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9232 1.7422 5.0949 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1529 -0.8648 5.2797 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9596 -1.4006 3.9279 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8499 -0.4067 3.7616 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1844 -3.1049 3.8097 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3395 -3.0995 3.8471 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3188 -2.3415 5.1051 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0145 -1.8872 1.7442 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9803 -1.0949 1.3486 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1518 -1.3188 2.8078 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9654 0.3190 1.9407 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1146 -3.5368 0.5083 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6341 -4.5643 -2.2498 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0585 -5.9847 -1.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8525 -4.0629 -2.8385 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9512 -6.2619 -3.5930 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9629 -7.0507 -2.2889 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7458 -6.0762 -3.5816 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5688 -6.9333 -0.7241 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6652 -5.4882 -0.3963 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2658 -5.9469 -2.0574 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2196 -3.9673 0.7558 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4813 -2.7846 -1.3389 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6323 -2.3763 1.7467 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9810 0.0166 1.6965 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3263 -0.1765 2.4116 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6201 1.1867 1.3115 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4121 -0.6901 -1.5752 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5596 0.0047 -3.2111 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8976 0.2249 0.1476 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0049 1.7569 0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8491 1.7089 0.3475 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
3 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
37 40 1 0 0 0 0
40 41 1 0 0 0 0
40 42 1 0 0 0 0
31 43 1 0 0 0 0
43 44 1 0 0 0 0
43 45 1 0 0 0 0
25 46 1 0 0 0 0
46 47 1 0 0 0 0
46 48 1 0 0 0 0
48 49 1 0 0 0 0
48 50 1 0 0 0 0
21 51 1 0 0 0 0
51 52 1 0 0 0 0
51 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
54 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 1 0 0 0
57 59 1 0 0 0 0
59 60 1 0 0 0 0
59 61 2 0 0 0 0
61 62 1 0 0 0 0
62 63 2 0 0 0 0
62 64 1 0 0 0 0
65 64 1 1 0 0 0
65 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 1 0 0 0 0
67 69 1 0 0 0 0
69 70 1 0 0 0 0
69 71 2 0 0 0 0
71 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 2 0 0 0 0
74 75 1 0 0 0 0
65 76 1 0 0 0 0
76 77 2 0 0 0 0
10 78 1 0 0 0 0
78 79 1 0 0 0 0
79 80 1 0 0 0 0
79 81 1 1 0 0 0
81 82 2 0 0 0 0
81 83 1 0 0 0 0
79 6 1 0 0 0 0
74 12 1 0 0 0 0
57 17 1 0 0 0 0
76 61 1 0 0 0 0
56 20 1 0 0 0 0
72 65 1 0 0 0 0
50 23 1 0 0 0 0
45 27 1 0 0 0 0
42 33 1 0 0 0 0
1 84 1 0 0 0 0
1 85 1 0 0 0 0
1 86 1 0 0 0 0
5 87 1 0 0 0 0
6 88 1 6 0 0 0
7 89 1 6 0 0 0
8 90 1 0 0 0 0
8 91 1 0 0 0 0
8 92 1 0 0 0 0
10 93 1 6 0 0 0
12 94 1 6 0 0 0
13 95 1 0 0 0 0
13 96 1 0 0 0 0
14 97 1 0 0 0 0
16 98 1 0 0 0 0
16 99 1 0 0 0 0
16100 1 0 0 0 0
17101 1 1 0 0 0
18102 1 0 0 0 0
19103 1 0 0 0 0
20104 1 6 0 0 0
21105 1 1 0 0 0
23106 1 1 0 0 0
24107 1 0 0 0 0
24108 1 0 0 0 0
25109 1 6 0 0 0
27110 1 6 0 0 0
28111 1 0 0 0 0
28112 1 0 0 0 0
29113 1 6 0 0 0
30114 1 0 0 0 0
31115 1 1 0 0 0
33116 1 6 0 0 0
34117 1 0 0 0 0
34118 1 0 0 0 0
35119 1 1 0 0 0
36120 1 0 0 0 0
37121 1 1 0 0 0
39122 1 0 0 0 0
39123 1 0 0 0 0
39124 1 0 0 0 0
40125 1 6 0 0 0
41126 1 0 0 0 0
41127 1 0 0 0 0
41128 1 0 0 0 0
43129 1 6 0 0 0
44130 1 0 0 0 0
44131 1 0 0 0 0
44132 1 0 0 0 0
46133 1 1 0 0 0
47134 1 0 0 0 0
48135 1 6 0 0 0
49136 1 0 0 0 0
49137 1 0 0 0 0
49138 1 0 0 0 0
51139 1 1 0 0 0
52140 1 0 0 0 0
52141 1 0 0 0 0
52142 1 0 0 0 0
53143 1 0 0 0 0
53144 1 0 0 0 0
54145 1 6 0 0 0
55146 1 0 0 0 0
55147 1 0 0 0 0
55148 1 0 0 0 0
56149 1 6 0 0 0
58150 1 0 0 0 0
58151 1 0 0 0 0
58152 1 0 0 0 0
60153 1 0 0 0 0
66154 1 0 0 0 0
66155 1 0 0 0 0
67156 1 6 0 0 0
68157 1 0 0 0 0
68158 1 0 0 0 0
68159 1 0 0 0 0
70160 1 0 0 0 0
70161 1 0 0 0 0
70162 1 0 0 0 0
71163 1 0 0 0 0
72164 1 6 0 0 0
73165 1 0 0 0 0
75166 1 0 0 0 0
75167 1 0 0 0 0
75168 1 0 0 0 0
78169 1 0 0 0 0
78170 1 0 0 0 0
80171 1 0 0 0 0
80172 1 0 0 0 0
80173 1 0 0 0 0
M CHG 2 81 1 83 -1
M END
> <DATABASE_ID>
NP0010291
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]O\C1=C2/C(=O)O[C@@]3(C2=O)C([H])([H])[C@]([H])(C(=C([H])[C@@]3([H])\C([H])=C(C([H])([H])[H])/[C@@]([H])(O[C@]2([H])O[C@]([H])(C([H])([H])[H])[C@]([H])(N([H])C(=O)OC([H])([H])[H])[C@]([N+]([O-])=O)(C([H])([H])[H])C2([H])[H])C([H])([H])\C([H])=C(C([H])([H])[H])/[C@]2([H])C([H])=C([H])[C@]3([H])[C@@]([H])(O[C@]4([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[C@]5([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[C@@]6([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(OC([H])([H])[H])[C@]([H])(O[H])C6([H])[H])[C@]([H])(O[H])C5([H])[H])C4([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@]([H])(C([H])([H])[H])[C@@]3([H])[C@]12C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C61H90N2O20/c1-27-15-18-42(79-47-26-59(11,63(71)72)54(36(10)78-47)62-58(70)74-14)29(3)21-37-20-28(2)32(6)25-61(37)56(68)48(57(69)83-61)55(67)60(12)39(27)17-16-38-49(60)30(4)19-31(5)51(38)81-46-24-43(50(66)33(7)75-46)80-44-23-41(65)53(35(9)77-44)82-45-22-40(64)52(73-13)34(8)76-45/h15-17,20-21,30-47,49-54,64-67H,18-19,22-26H2,1-14H3,(H,62,70)/b27-15-,29-21-,55-48-/t30-,31-,32+,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44-,45+,46-,47-,49+,50-,51-,52-,53-,54-,59-,60+,61-/m0/s1
> <INCHI_KEY>
OARQKMNMTSJVDS-MEOPKVBCSA-N
> <FORMULA>
C61H90N2O20
> <MOLECULAR_WEIGHT>
1171.385
> <EXACT_MASS>
1170.608693306
> <JCHEM_ACCEPTOR_COUNT>
18
> <JCHEM_ATOM_COUNT>
173
> <JCHEM_AVERAGE_POLARIZABILITY>
128.86649764108063
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
5
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
{[(2R,3R,4S,6R)-6-{[(1S,3R,6S,7Z,9S,11Z,13S,16S,17S,18S,20S,21R,22S,23Z)-23-hydroxy-17-{[(2R,4R,5S,6S)-5-hydroxy-4-{[(2S,4R,5R,6S)-4-hydroxy-5-{[(2R,4R,5R,6S)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-3,4,8,12,18,20,22-heptamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.0^{1,6}.0^{13,22}.0^{16,21}]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy}-3-[(methoxycarbonyl)amino]-2,4-dimethyloxan-4-yl]nitro}-lambda1-oxidanyl
> <ALOGPS_LOGP>
3.88
> <JCHEM_LOGP>
7.332236071000004
> <ALOGPS_LOGS>
-5.28
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
9
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1
> <JCHEM_PKA>
12.882591202172794
> <JCHEM_PKA_STRONGEST_ACIDIC>
3.547658605791259
> <JCHEM_PKA_STRONGEST_BASIC>
-3.2564663445381106
> <JCHEM_POLAR_SURFACE_AREA>
288.8299999999999
> <JCHEM_REFRACTIVITY>
298.35230000000007
> <JCHEM_ROTATABLE_BOND_COUNT>
12
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
6.14e-03 g/l
> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3R,4S,6R)-6-{[(1S,3R,6S,7Z,9S,11Z,13S,16S,17S,18S,20S,21R,22S,23Z)-23-hydroxy-17-{[(2R,4R,5S,6S)-5-hydroxy-4-{[(2S,4R,5R,6S)-4-hydroxy-5-{[(2R,4R,5R,6S)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-3,4,8,12,18,20,22-heptamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.0^{1,6}.0^{13,22}.0^{16,21}]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy}-3-[(methoxycarbonyl)amino]-2,4-dimethyloxan-4-ylnitro]-lambda1-oxidanyl
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0010291 (Lobophorin E)
RDKit 3D
173181 0 0 0 0 0 0 0 0999 V2000
-11.8468 6.8389 -0.8198 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.9211 5.7982 -0.5233 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.7173 4.8010 -1.4629 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.3735 4.8646 -2.5549 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.8111 3.7419 -1.2232 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.5876 2.6761 -2.2088 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.1716 2.7785 -2.6617 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.2876 3.5220 -1.6489 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5904 1.6217 -3.1132 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.7215 0.5214 -2.3059 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.1078 0.7303 -1.1080 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0356 -0.1796 -0.8450 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.7468 0.6818 -0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7104 0.3113 -1.6254 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5585 -0.3033 -1.4134 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9447 -0.9145 -2.6761 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8697 -0.3891 -0.1819 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4048 -0.3545 -0.6598 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4873 -0.0521 0.2427 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1214 0.1993 1.5751 C 0 0 2 0 0 0 0 0 0 0 0 0
1.0142 0.5225 2.4606 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7518 1.6254 2.1255 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1023 1.3370 2.2230 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9383 1.5859 1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1837 0.7269 1.1290 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3015 1.2332 0.5239 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9327 0.2453 -0.2440 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1434 0.5799 -1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5233 1.0548 -2.0442 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5815 2.4523 -2.0823 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6057 0.4951 -1.1631 C 0 0 1 0 0 0 0 0 0 0 0 0
10.7937 1.1065 -1.4147 O 0 0 0 0 0 0 0 0 0 0 0 0
11.8348 0.2272 -1.7113 C 0 0 2 0 0 0 0 0 0 0 0 0
12.8939 0.1973 -0.6722 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2292 -0.0891 -1.3123 C 0 0 1 0 0 0 0 0 0 0 0 0
14.3656 -1.3934 -1.7255 O 0 0 0 0 0 0 0 0 0 0 0 0
14.5009 0.9340 -2.3953 C 0 0 1 0 0 0 0 0 0 0 0 0
15.5500 0.4824 -3.1680 O 0 0 0 0 0 0 0 0 0 0 0 0
16.6901 1.2626 -3.1082 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2503 1.2477 -3.1831 C 0 0 2 0 0 0 0 0 0 0 0 0
12.7110 2.5865 -2.7859 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3202 0.2689 -2.9675 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1063 0.7578 0.2743 C 0 0 2 0 0 0 0 0 0 0 0 0
10.1571 0.5248 1.3019 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0864 -0.1947 0.4391 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4635 0.6036 2.6461 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8627 0.4789 2.7520 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0387 1.8538 3.3513 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4729 1.7561 4.7964 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6523 2.0045 3.3519 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4783 0.6678 3.9100 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.6124 1.6602 4.0232 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1162 -0.7543 4.1915 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1324 -1.1825 3.3618 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.3095 -2.5385 3.9804 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7912 -1.0879 1.9446 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9617 -1.2950 0.9295 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.0728 -0.7470 1.8770 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0007 -2.7457 0.8841 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8992 -3.6060 1.1563 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1304 -3.4457 0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7682 -4.5376 1.3924 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3149 -5.0081 2.4724 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9114 -4.8993 0.7226 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1840 -4.0264 -0.2625 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.3447 -4.9565 -1.4958 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6984 -4.8790 -2.1134 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.8604 -6.1629 -2.9381 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7293 -4.9492 -1.0432 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8455 -5.9074 -1.0095 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5578 -4.0290 -0.0682 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3532 -3.1260 -0.2786 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.4902 -2.0743 0.6911 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4586 -0.7902 0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9055 0.1533 1.5052 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8855 -3.1916 -0.5615 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1801 -2.7103 -1.6908 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.1910 0.2003 -2.1925 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9866 1.3563 -1.6376 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.9114 1.3218 -0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.3742 1.1024 -1.9780 N 0 0 0 0 0 4 0 0 0 0 0 0
-12.0925 1.8657 -2.6416 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.9709 -0.0773 -1.5436 O 0 0 0 0 0 1 0 0 0 0 0 0
-12.3697 6.6257 -1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3887 7.8259 -0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.6441 6.8283 -0.0283 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2954 3.7415 -0.3106 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2556 2.9100 -3.0757 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1577 3.4834 -3.5550 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2853 3.6658 -2.1162 H 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
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9 10 1 0
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14 15 2 0
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18 19 2 0
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28 29 1 0
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40 42 1 0
31 43 1 0
43 44 1 0
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25 46 1 0
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48 49 1 0
48 50 1 0
21 51 1 0
51 52 1 0
51 53 1 0
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54 55 1 0
54 56 1 0
56 57 1 0
57 58 1 1
57 59 1 0
59 60 1 0
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61 62 1 0
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62 64 1 0
65 64 1 1
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42 33 1 0
1 84 1 0
1 85 1 0
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6 88 1 6
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12 94 1 6
13 95 1 0
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14 97 1 0
16 98 1 0
16 99 1 0
16100 1 0
17101 1 1
18102 1 0
19103 1 0
20104 1 6
21105 1 1
23106 1 1
24107 1 0
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27110 1 6
28111 1 0
28112 1 0
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30114 1 0
31115 1 1
33116 1 6
34117 1 0
34118 1 0
35119 1 1
36120 1 0
37121 1 1
39122 1 0
39123 1 0
39124 1 0
40125 1 6
41126 1 0
41127 1 0
41128 1 0
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44130 1 0
44131 1 0
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46133 1 1
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48135 1 6
49136 1 0
49137 1 0
49138 1 0
51139 1 1
52140 1 0
52141 1 0
52142 1 0
53143 1 0
53144 1 0
54145 1 6
55146 1 0
55147 1 0
55148 1 0
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58150 1 0
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58152 1 0
60153 1 0
66154 1 0
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68159 1 0
70160 1 0
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72164 1 6
73165 1 0
75166 1 0
75167 1 0
75168 1 0
78169 1 0
78170 1 0
80171 1 0
80172 1 0
80173 1 0
M CHG 2 81 1 83 -1
M END
PDB for NP0010291 (Lobophorin E)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 -11.847 6.839 -0.820 0.00 0.00 C+0 HETATM 2 O UNK 0 -10.921 5.798 -0.523 0.00 0.00 O+0 HETATM 3 C UNK 0 -10.717 4.801 -1.463 0.00 0.00 C+0 HETATM 4 O UNK 0 -11.373 4.865 -2.555 0.00 0.00 O+0 HETATM 5 N UNK 0 -9.811 3.742 -1.223 0.00 0.00 N+0 HETATM 6 C UNK 0 -9.588 2.676 -2.209 0.00 0.00 C+0 HETATM 7 C UNK 0 -8.172 2.779 -2.662 0.00 0.00 C+0 HETATM 8 C UNK 0 -7.288 3.522 -1.649 0.00 0.00 C+0 HETATM 9 O UNK 0 -7.590 1.622 -3.113 0.00 0.00 O+0 HETATM 10 C UNK 0 -7.721 0.521 -2.306 0.00 0.00 C+0 HETATM 11 O UNK 0 -7.108 0.730 -1.108 0.00 0.00 O+0 HETATM 12 C UNK 0 -6.036 -0.180 -0.845 0.00 0.00 C+0 HETATM 13 C UNK 0 -4.747 0.682 -0.705 0.00 0.00 C+0 HETATM 14 C UNK 0 -3.710 0.311 -1.625 0.00 0.00 C+0 HETATM 15 C UNK 0 -2.559 -0.303 -1.413 0.00 0.00 C+0 HETATM 16 C UNK 0 -1.945 -0.915 -2.676 0.00 0.00 C+0 HETATM 17 C UNK 0 -1.870 -0.389 -0.182 0.00 0.00 C+0 HETATM 18 C UNK 0 -0.405 -0.355 -0.660 0.00 0.00 C+0 HETATM 19 C UNK 0 0.487 -0.052 0.243 0.00 0.00 C+0 HETATM 20 C UNK 0 -0.121 0.199 1.575 0.00 0.00 C+0 HETATM 21 C UNK 0 1.014 0.523 2.461 0.00 0.00 C+0 HETATM 22 O UNK 0 1.752 1.625 2.126 0.00 0.00 O+0 HETATM 23 C UNK 0 3.102 1.337 2.223 0.00 0.00 C+0 HETATM 24 C UNK 0 3.938 1.586 1.011 0.00 0.00 C+0 HETATM 25 C UNK 0 5.184 0.727 1.129 0.00 0.00 C+0 HETATM 26 O UNK 0 6.301 1.233 0.524 0.00 0.00 O+0 HETATM 27 C UNK 0 6.933 0.245 -0.244 0.00 0.00 C+0 HETATM 28 C UNK 0 7.143 0.580 -1.664 0.00 0.00 C+0 HETATM 29 C UNK 0 8.523 1.055 -2.044 0.00 0.00 C+0 HETATM 30 O UNK 0 8.582 2.452 -2.082 0.00 0.00 O+0 HETATM 31 C UNK 0 9.606 0.495 -1.163 0.00 0.00 C+0 HETATM 32 O UNK 0 10.794 1.107 -1.415 0.00 0.00 O+0 HETATM 33 C UNK 0 11.835 0.227 -1.711 0.00 0.00 C+0 HETATM 34 C UNK 0 12.894 0.197 -0.672 0.00 0.00 C+0 HETATM 35 C UNK 0 14.229 -0.089 -1.312 0.00 0.00 C+0 HETATM 36 O UNK 0 14.366 -1.393 -1.726 0.00 0.00 O+0 HETATM 37 C UNK 0 14.501 0.934 -2.395 0.00 0.00 C+0 HETATM 38 O UNK 0 15.550 0.482 -3.168 0.00 0.00 O+0 HETATM 39 C UNK 0 16.690 1.263 -3.108 0.00 0.00 C+0 HETATM 40 C UNK 0 13.250 1.248 -3.183 0.00 0.00 C+0 HETATM 41 C UNK 0 12.711 2.587 -2.786 0.00 0.00 C+0 HETATM 42 O UNK 0 12.320 0.269 -2.967 0.00 0.00 O+0 HETATM 43 C UNK 0 9.106 0.758 0.274 0.00 0.00 C+0 HETATM 44 C UNK 0 10.157 0.525 1.302 0.00 0.00 C+0 HETATM 45 O UNK 0 8.086 -0.195 0.439 0.00 0.00 O+0 HETATM 46 C UNK 0 5.463 0.604 2.646 0.00 0.00 C+0 HETATM 47 O UNK 0 6.863 0.479 2.752 0.00 0.00 O+0 HETATM 48 C UNK 0 5.039 1.854 3.351 0.00 0.00 C+0 HETATM 49 C UNK 0 5.473 1.756 4.796 0.00 0.00 C+0 HETATM 50 O UNK 0 3.652 2.005 3.352 0.00 0.00 O+0 HETATM 51 C UNK 0 0.478 0.668 3.910 0.00 0.00 C+0 HETATM 52 C UNK 0 -0.612 1.660 4.023 0.00 0.00 C+0 HETATM 53 C UNK 0 0.116 -0.754 4.191 0.00 0.00 C+0 HETATM 54 C UNK 0 -1.132 -1.183 3.362 0.00 0.00 C+0 HETATM 55 C UNK 0 -1.310 -2.539 3.980 0.00 0.00 C+0 HETATM 56 C UNK 0 -0.791 -1.088 1.945 0.00 0.00 C+0 HETATM 57 C UNK 0 -1.962 -1.295 0.930 0.00 0.00 C+0 HETATM 58 C UNK 0 -3.073 -0.747 1.877 0.00 0.00 C+0 HETATM 59 C UNK 0 -2.001 -2.746 0.884 0.00 0.00 C+0 HETATM 60 O UNK 0 -0.899 -3.606 1.156 0.00 0.00 O+0 HETATM 61 C UNK 0 -3.130 -3.446 0.574 0.00 0.00 C+0 HETATM 62 C UNK 0 -3.768 -4.538 1.392 0.00 0.00 C+0 HETATM 63 O UNK 0 -3.315 -5.008 2.472 0.00 0.00 O+0 HETATM 64 O UNK 0 -4.911 -4.899 0.723 0.00 0.00 O+0 HETATM 65 C UNK 0 -5.184 -4.026 -0.263 0.00 0.00 C+0 HETATM 66 C UNK 0 -5.345 -4.957 -1.496 0.00 0.00 C+0 HETATM 67 C UNK 0 -6.698 -4.879 -2.113 0.00 0.00 C+0 HETATM 68 C UNK 0 -6.860 -6.163 -2.938 0.00 0.00 C+0 HETATM 69 C UNK 0 -7.729 -4.949 -1.043 0.00 0.00 C+0 HETATM 70 C UNK 0 -8.845 -5.907 -1.010 0.00 0.00 C+0 HETATM 71 C UNK 0 -7.558 -4.029 -0.068 0.00 0.00 C+0 HETATM 72 C UNK 0 -6.353 -3.126 -0.279 0.00 0.00 C+0 HETATM 73 C UNK 0 -6.490 -2.074 0.691 0.00 0.00 C+0 HETATM 74 C UNK 0 -6.459 -0.790 0.409 0.00 0.00 C+0 HETATM 75 C UNK 0 -6.906 0.153 1.505 0.00 0.00 C+0 HETATM 76 C UNK 0 -3.886 -3.192 -0.562 0.00 0.00 C+0 HETATM 77 O UNK 0 -4.180 -2.710 -1.691 0.00 0.00 O+0 HETATM 78 C UNK 0 -9.191 0.200 -2.192 0.00 0.00 C+0 HETATM 79 C UNK 0 -9.987 1.356 -1.638 0.00 0.00 C+0 HETATM 80 C UNK 0 -9.911 1.322 -0.123 0.00 0.00 C+0 HETATM 81 N UNK 0 -11.374 1.102 -1.978 0.00 0.00 N+1 HETATM 82 O UNK 0 -12.092 1.866 -2.642 0.00 0.00 O+0 HETATM 83 O UNK 0 -11.971 -0.077 -1.544 0.00 0.00 O-1 HETATM 84 H UNK 0 -12.370 6.626 -1.786 0.00 0.00 H+0 HETATM 85 H UNK 0 -11.389 7.826 -0.831 0.00 0.00 H+0 HETATM 86 H UNK 0 -12.644 6.828 -0.028 0.00 0.00 H+0 HETATM 87 H UNK 0 -9.295 3.741 -0.311 0.00 0.00 H+0 HETATM 88 H UNK 0 -10.256 2.910 -3.076 0.00 0.00 H+0 HETATM 89 H UNK 0 -8.158 3.483 -3.555 0.00 0.00 H+0 HETATM 90 H UNK 0 -6.285 3.666 -2.116 0.00 0.00 H+0 HETATM 91 H UNK 0 -7.695 4.541 -1.501 0.00 0.00 H+0 HETATM 92 H UNK 0 -7.236 3.031 -0.681 0.00 0.00 H+0 HETATM 93 H UNK 0 -7.272 -0.339 -2.885 0.00 0.00 H+0 HETATM 94 H UNK 0 -6.031 -0.787 -1.734 0.00 0.00 H+0 HETATM 95 H UNK 0 -5.092 1.728 -1.091 0.00 0.00 H+0 HETATM 96 H UNK 0 -4.584 0.904 0.321 0.00 0.00 H+0 HETATM 97 H UNK 0 -3.925 0.592 -2.701 0.00 0.00 H+0 HETATM 98 H UNK 0 -1.420 -1.843 -2.469 0.00 0.00 H+0 HETATM 99 H UNK 0 -1.380 -0.104 -3.147 0.00 0.00 H+0 HETATM 100 H UNK 0 -2.763 -1.160 -3.416 0.00 0.00 H+0 HETATM 101 H UNK 0 -1.947 0.666 0.270 0.00 0.00 H+0 HETATM 102 H UNK 0 -0.130 -0.573 -1.695 0.00 0.00 H+0 HETATM 103 H UNK 0 1.521 -0.016 -0.020 0.00 0.00 H+0 HETATM 104 H UNK 0 -0.772 1.095 1.579 0.00 0.00 H+0 HETATM 105 H UNK 0 1.695 -0.340 2.558 0.00 0.00 H+0 HETATM 106 H UNK 0 3.233 0.256 2.510 0.00 0.00 H+0 HETATM 107 H UNK 0 4.276 2.653 0.942 0.00 0.00 H+0 HETATM 108 H UNK 0 3.446 1.265 0.075 0.00 0.00 H+0 HETATM 109 H UNK 0 5.006 -0.329 0.822 0.00 0.00 H+0 HETATM 110 H UNK 0 6.262 -0.670 -0.184 0.00 0.00 H+0 HETATM 111 H UNK 0 6.906 -0.314 -2.312 0.00 0.00 H+0 HETATM 112 H UNK 0 6.425 1.369 -1.980 0.00 0.00 H+0 HETATM 113 H UNK 0 8.741 0.707 -3.078 0.00 0.00 H+0 HETATM 114 H UNK 0 8.152 2.780 -2.890 0.00 0.00 H+0 HETATM 115 H UNK 0 9.622 -0.607 -1.283 0.00 0.00 H+0 HETATM 116 H UNK 0 11.320 -0.802 -1.626 0.00 0.00 H+0 HETATM 117 H UNK 0 12.749 -0.635 0.074 0.00 0.00 H+0 HETATM 118 H UNK 0 13.023 1.174 -0.115 0.00 0.00 H+0 HETATM 119 H UNK 0 15.011 0.088 -0.514 0.00 0.00 H+0 HETATM 120 H UNK 0 15.094 -1.484 -2.397 0.00 0.00 H+0 HETATM 121 H UNK 0 14.828 1.864 -1.894 0.00 0.00 H+0 HETATM 122 H UNK 0 16.561 2.293 -3.435 0.00 0.00 H+0 HETATM 123 H UNK 0 17.185 1.208 -2.102 0.00 0.00 H+0 HETATM 124 H UNK 0 17.428 0.783 -3.807 0.00 0.00 H+0 HETATM 125 H UNK 0 13.485 1.229 -4.287 0.00 0.00 H+0 HETATM 126 H UNK 0 13.130 3.371 -3.493 0.00 0.00 H+0 HETATM 127 H UNK 0 12.884 2.879 -1.748 0.00 0.00 H+0 HETATM 128 H UNK 0 11.596 2.632 -2.957 0.00 0.00 H+0 HETATM 129 H UNK 0 8.742 1.783 0.300 0.00 0.00 H+0 HETATM 130 H UNK 0 10.963 1.289 1.200 0.00 0.00 H+0 HETATM 131 H UNK 0 9.689 0.740 2.296 0.00 0.00 H+0 HETATM 132 H UNK 0 10.551 -0.501 1.318 0.00 0.00 H+0 HETATM 133 H UNK 0 5.045 -0.323 3.056 0.00 0.00 H+0 HETATM 134 H UNK 0 7.305 1.338 2.901 0.00 0.00 H+0 HETATM 135 H UNK 0 5.464 2.751 2.865 0.00 0.00 H+0 HETATM 136 H UNK 0 4.680 2.122 5.498 0.00 0.00 H+0 HETATM 137 H UNK 0 5.586 0.678 5.044 0.00 0.00 H+0 HETATM 138 H UNK 0 6.446 2.255 4.997 0.00 0.00 H+0 HETATM 139 H UNK 0 1.346 0.956 4.501 0.00 0.00 H+0 HETATM 140 H UNK 0 -0.218 2.689 3.787 0.00 0.00 H+0 HETATM 141 H UNK 0 -1.494 1.527 3.407 0.00 0.00 H+0 HETATM 142 H UNK 0 -0.923 1.742 5.095 0.00 0.00 H+0 HETATM 143 H UNK 0 -0.153 -0.865 5.280 0.00 0.00 H+0 HETATM 144 H UNK 0 0.960 -1.401 3.928 0.00 0.00 H+0 HETATM 145 H UNK 0 -1.850 -0.407 3.762 0.00 0.00 H+0 HETATM 146 H UNK 0 -2.184 -3.105 3.810 0.00 0.00 H+0 HETATM 147 H UNK 0 -0.340 -3.099 3.847 0.00 0.00 H+0 HETATM 148 H UNK 0 -1.319 -2.341 5.105 0.00 0.00 H+0 HETATM 149 H UNK 0 -0.015 -1.887 1.744 0.00 0.00 H+0 HETATM 150 H UNK 0 -3.980 -1.095 1.349 0.00 0.00 H+0 HETATM 151 H UNK 0 -3.152 -1.319 2.808 0.00 0.00 H+0 HETATM 152 H UNK 0 -2.965 0.319 1.941 0.00 0.00 H+0 HETATM 153 H UNK 0 -0.115 -3.537 0.508 0.00 0.00 H+0 HETATM 154 H UNK 0 -4.634 -4.564 -2.250 0.00 0.00 H+0 HETATM 155 H UNK 0 -5.059 -5.985 -1.310 0.00 0.00 H+0 HETATM 156 H UNK 0 -6.853 -4.063 -2.838 0.00 0.00 H+0 HETATM 157 H UNK 0 -5.951 -6.262 -3.593 0.00 0.00 H+0 HETATM 158 H UNK 0 -6.963 -7.051 -2.289 0.00 0.00 H+0 HETATM 159 H UNK 0 -7.746 -6.076 -3.582 0.00 0.00 H+0 HETATM 160 H UNK 0 -8.569 -6.933 -0.724 0.00 0.00 H+0 HETATM 161 H UNK 0 -9.665 -5.488 -0.396 0.00 0.00 H+0 HETATM 162 H UNK 0 -9.266 -5.947 -2.057 0.00 0.00 H+0 HETATM 163 H UNK 0 -8.220 -3.967 0.756 0.00 0.00 H+0 HETATM 164 H UNK 0 -6.481 -2.785 -1.339 0.00 0.00 H+0 HETATM 165 H UNK 0 -6.632 -2.376 1.747 0.00 0.00 H+0 HETATM 166 H UNK 0 -7.981 0.017 1.696 0.00 0.00 H+0 HETATM 167 H UNK 0 -6.326 -0.177 2.412 0.00 0.00 H+0 HETATM 168 H UNK 0 -6.620 1.187 1.312 0.00 0.00 H+0 HETATM 169 H UNK 0 -9.412 -0.690 -1.575 0.00 0.00 H+0 HETATM 170 H UNK 0 -9.560 0.005 -3.211 0.00 0.00 H+0 HETATM 171 H UNK 0 -9.898 0.225 0.148 0.00 0.00 H+0 HETATM 172 H UNK 0 -9.005 1.757 0.292 0.00 0.00 H+0 HETATM 173 H UNK 0 -10.849 1.709 0.348 0.00 0.00 H+0 CONECT 1 2 84 85 86 CONECT 2 1 3 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 87 CONECT 6 5 7 79 88 CONECT 7 6 8 9 89 CONECT 8 7 90 91 92 CONECT 9 7 10 CONECT 10 9 11 78 93 CONECT 11 10 12 CONECT 12 11 13 74 94 CONECT 13 12 14 95 96 CONECT 14 13 15 97 CONECT 15 14 16 17 CONECT 16 15 98 99 100 CONECT 17 15 18 57 101 CONECT 18 17 19 102 CONECT 19 18 20 103 CONECT 20 19 21 56 104 CONECT 21 20 22 51 105 CONECT 22 21 23 CONECT 23 22 24 50 106 CONECT 24 23 25 107 108 CONECT 25 24 26 46 109 CONECT 26 25 27 CONECT 27 26 28 45 110 CONECT 28 27 29 111 112 CONECT 29 28 30 31 113 CONECT 30 29 114 CONECT 31 29 32 43 115 CONECT 32 31 33 CONECT 33 32 34 42 116 CONECT 34 33 35 117 118 CONECT 35 34 36 37 119 CONECT 36 35 120 CONECT 37 35 38 40 121 CONECT 38 37 39 CONECT 39 38 122 123 124 CONECT 40 37 41 42 125 CONECT 41 40 126 127 128 CONECT 42 40 33 CONECT 43 31 44 45 129 CONECT 44 43 130 131 132 CONECT 45 43 27 CONECT 46 25 47 48 133 CONECT 47 46 134 CONECT 48 46 49 50 135 CONECT 49 48 136 137 138 CONECT 50 48 23 CONECT 51 21 52 53 139 CONECT 52 51 140 141 142 CONECT 53 51 54 143 144 CONECT 54 53 55 56 145 CONECT 55 54 146 147 148 CONECT 56 54 57 20 149 CONECT 57 56 58 59 17 CONECT 58 57 150 151 152 CONECT 59 57 60 61 CONECT 60 59 153 CONECT 61 59 62 76 CONECT 62 61 63 64 CONECT 63 62 CONECT 64 62 65 CONECT 65 64 66 76 72 CONECT 66 65 67 154 155 CONECT 67 66 68 69 156 CONECT 68 67 157 158 159 CONECT 69 67 70 71 CONECT 70 69 160 161 162 CONECT 71 69 72 163 CONECT 72 71 73 65 164 CONECT 73 72 74 165 CONECT 74 73 75 12 CONECT 75 74 166 167 168 CONECT 76 65 77 61 CONECT 77 76 CONECT 78 10 79 169 170 CONECT 79 78 80 81 6 CONECT 80 79 171 172 173 CONECT 81 79 82 83 CONECT 82 81 CONECT 83 81 CONECT 84 1 CONECT 85 1 CONECT 86 1 CONECT 87 5 CONECT 88 6 CONECT 89 7 CONECT 90 8 CONECT 91 8 CONECT 92 8 CONECT 93 10 CONECT 94 12 CONECT 95 13 CONECT 96 13 CONECT 97 14 CONECT 98 16 CONECT 99 16 CONECT 100 16 CONECT 101 17 CONECT 102 18 CONECT 103 19 CONECT 104 20 CONECT 105 21 CONECT 106 23 CONECT 107 24 CONECT 108 24 CONECT 109 25 CONECT 110 27 CONECT 111 28 CONECT 112 28 CONECT 113 29 CONECT 114 30 CONECT 115 31 CONECT 116 33 CONECT 117 34 CONECT 118 34 CONECT 119 35 CONECT 120 36 CONECT 121 37 CONECT 122 39 CONECT 123 39 CONECT 124 39 CONECT 125 40 CONECT 126 41 CONECT 127 41 CONECT 128 41 CONECT 129 43 CONECT 130 44 CONECT 131 44 CONECT 132 44 CONECT 133 46 CONECT 134 47 CONECT 135 48 CONECT 136 49 CONECT 137 49 CONECT 138 49 CONECT 139 51 CONECT 140 52 CONECT 141 52 CONECT 142 52 CONECT 143 53 CONECT 144 53 CONECT 145 54 CONECT 146 55 CONECT 147 55 CONECT 148 55 CONECT 149 56 CONECT 150 58 CONECT 151 58 CONECT 152 58 CONECT 153 60 CONECT 154 66 CONECT 155 66 CONECT 156 67 CONECT 157 68 CONECT 158 68 CONECT 159 68 CONECT 160 70 CONECT 161 70 CONECT 162 70 CONECT 163 71 CONECT 164 72 CONECT 165 73 CONECT 166 75 CONECT 167 75 CONECT 168 75 CONECT 169 78 CONECT 170 78 CONECT 171 80 CONECT 172 80 CONECT 173 80 MASTER 0 0 0 0 0 0 0 0 173 0 362 0 END SMILES for NP0010291 (Lobophorin E)[H]O\C1=C2/C(=O)O[C@@]3(C2=O)C([H])([H])[C@]([H])(C(=C([H])[C@@]3([H])\C([H])=C(C([H])([H])[H])/[C@@]([H])(O[C@]2([H])O[C@]([H])(C([H])([H])[H])[C@]([H])(N([H])C(=O)OC([H])([H])[H])[C@]([N+]([O-])=O)(C([H])([H])[H])C2([H])[H])C([H])([H])\C([H])=C(C([H])([H])[H])/[C@]2([H])C([H])=C([H])[C@]3([H])[C@@]([H])(O[C@]4([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[C@]5([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[C@@]6([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(OC([H])([H])[H])[C@]([H])(O[H])C6([H])[H])[C@]([H])(O[H])C5([H])[H])C4([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@]([H])(C([H])([H])[H])[C@@]3([H])[C@]12C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] INCHI for NP0010291 (Lobophorin E)InChI=1S/C61H90N2O20/c1-27-15-18-42(79-47-26-59(11,63(71)72)54(36(10)78-47)62-58(70)74-14)29(3)21-37-20-28(2)32(6)25-61(37)56(68)48(57(69)83-61)55(67)60(12)39(27)17-16-38-49(60)30(4)19-31(5)51(38)81-46-24-43(50(66)33(7)75-46)80-44-23-41(65)53(35(9)77-44)82-45-22-40(64)52(73-13)34(8)76-45/h15-17,20-21,30-47,49-54,64-67H,18-19,22-26H2,1-14H3,(H,62,70)/b27-15-,29-21-,55-48-/t30-,31-,32+,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44-,45+,46-,47-,49+,50-,51-,52-,53-,54-,59-,60+,61-/m0/s1 3D Structure for NP0010291 (Lobophorin E) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C61H90N2O20 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1171.3850 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1170.60869 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | {[(2R,3R,4S,6R)-6-{[(1S,3R,6S,7Z,9S,11Z,13S,16S,17S,18S,20S,21R,22S,23Z)-23-hydroxy-17-{[(2R,4R,5S,6S)-5-hydroxy-4-{[(2S,4R,5R,6S)-4-hydroxy-5-{[(2R,4R,5R,6S)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-3,4,8,12,18,20,22-heptamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.0^{1,6}.0^{13,22}.0^{16,21}]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy}-3-[(methoxycarbonyl)amino]-2,4-dimethyloxan-4-yl]nitro}-lambda1-oxidanyl | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | [(2R,3R,4S,6R)-6-{[(1S,3R,6S,7Z,9S,11Z,13S,16S,17S,18S,20S,21R,22S,23Z)-23-hydroxy-17-{[(2R,4R,5S,6S)-5-hydroxy-4-{[(2S,4R,5R,6S)-4-hydroxy-5-{[(2R,4R,5R,6S)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-3,4,8,12,18,20,22-heptamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.0^{1,6}.0^{13,22}.0^{16,21}]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy}-3-[(methoxycarbonyl)amino]-2,4-dimethyloxan-4-ylnitro]-lambda1-oxidanyl | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CO[C@@H]1[C@H](O)C[C@@H](O[C@@H]2[C@H](O)C[C@H](O[C@@H]3C[C@H](O[C@H]4[C@@H](C)C[C@H](C)[C@@H]5[C@@H]4C=C[C@H]4\C(C)=C/C[C@H](O[C@H]6C[C@@](C)([C@@H](NC(=O)OC)[C@@H](C)O6)[N+]([O-])=O)\C(C)=C/[C@@H]6C=C(C)[C@H](C)C[C@]66OC(=O)\C(C6=O)=C(O)\[C@@]54C)O[C@@H](C)[C@@H]3O)O[C@H]2C)O[C@H]1C | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C61H90N2O20/c1-27-15-18-42(79-47-26-59(11,63(71)72)54(36(10)78-47)62-58(70)74-14)29(3)21-37-20-28(2)32(6)25-61(37)56(68)48(57(69)83-61)55(67)60(12)39(27)17-16-38-49(60)30(4)19-31(5)51(38)81-46-24-43(50(66)33(7)75-46)80-44-23-41(65)53(35(9)77-44)82-45-22-40(64)52(73-13)34(8)76-45/h15-17,20-21,30-47,49-54,64-67H,18-19,22-26H2,1-14H3,(H,62,70)/b27-15-,29-21-,55-48-/t30-,31-,32+,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44-,45+,46-,47-,49+,50-,51-,52-,53-,54-,59-,60+,61-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | OARQKMNMTSJVDS-MEOPKVBCSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
